2-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide

C23H19FN4O2 — CID 39976969

IUPAC2-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
SMILESCC(C)n1ncc2cc(NC(=O)c3ccccc3C(=O)c3ccc(F)cc3)cnc21
InChIInChI=1S/C23H19FN4O2/c1-14(2)28-22-16(12-26-28)11-18(13-25-22)27-23(30)20-6-4-3-5-19(20)21(29)15-7-9-17(24)10-8-15/h3-14H,1-2H3,(H,27,30)
InChIKeyKAIQNGDCJCLHTI-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.63
Rot. Bonds5

About 2-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide

2-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide (PubChem CID 39976969) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide.

Molecular Properties

Compound Name2-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
PubChem CID39976969
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name2-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide
SMILESCC(C)n1ncc2cc(NC(=O)c3ccccc3C(=O)c3ccc(F)cc3)cnc21
InChIInChI=1S/C23H19FN4O2/c1-14(2)28-22-16(12-26-28)11-18(13-25-22)27-23(30)20-6-4-3-5-19(20)21(29)15-7-9-17(24)10-8-15/h3-14H,1-2H3,(H,27,30)
InChIKeyKAIQNGDCJCLHTI-UHFFFAOYSA-N
XLogP4.63
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
The IUPAC name of 2-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide (CID 39976969) is 2-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide.
What is the SMILES notation for 2-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
The canonical SMILES for 2-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide is CC(C)n1ncc2cc(NC(=O)c3ccccc3C(=O)c3ccc(F)cc3)cnc21.
What is the InChIKey of 2-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
The InChIKey is KAIQNGDCJCLHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c1-14(2)28-22-16(12-26-28)11-18(13-25-22)27-23(30)20-6-4-3-5-19(20)21(29)15-7-9-17(24)10-8-15/h3-14H,1-2H3,(H,27,30).
What are the key properties of 2-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide?
2-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide has a molecular weight of 402.43 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorobenzoyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)benzamide is sourced from PubChem (CID 39976969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).